On 6/30/13 12:11 PM, Hyunjin Kim wrote:
Hi,
When I convert FF parameters from OPLS (in Gromacs) to Charmm, I divide
bond and angle force constants, i.e., Kb and Ktheta, by 836.8 and 8.368.
However, parameters for tip3p water do not convert properly in this ways.
For example, Kb = 502416.0 kJ/
jitrayut jitonnom wrote:
Hi gromacs users,
I want to convert force in unit kJ/mol*nm to pN as shown in many
publication. This might be a simple question for anyone but I am just
new for gromacs in a week. So, if anyone could give any advice how to
convert this unit it would be very thanks.
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